#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt s SER 2 N 0.00 1.58 -0.43 1.61 0.15 -1.26 -5.09 113.70 110.27 2cpt s SER 2 Ca 0.00 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.26 2cpt s SER 2 Cb 0.00 -0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2cpt s SER 2 CO 0.00 -0.17 2.10 -0.94 1.20 0.00 0.00 173.24 175.43 2cpt s SER 3 N 1.82 5.18 0.00 5.45 1.04 -1.26 -4.48 113.70 121.45 2cpt s SER 3 Ca 0.03 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2cpt s SER 3 Cb -0.12 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2cpt s SER 3 CO -0.05 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.48 2cpt n GLY 4 N 5.75 -1.33 2.44 7.32 0.00 -1.26 -5.04 105.19 113.06 2cpt n GLY 4 Ca 0.28 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.91 2cpt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cpt n SER 5 N 0.00 -3.70 -4.61 1.61 2.88 -1.26 -5.01 113.62 103.53 2cpt n SER 5 Ca 0.00 -0.27 -0.38 0.00 -1.33 0.00 0.00 58.87 56.90 2cpt n SER 5 Cb 0.00 -2.68 -0.10 0.00 -0.75 0.00 0.00 64.21 60.68 2cpt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cpt s SER 6 N -3.25 6.08 0.00 -3.46 1.04 -1.26 -4.64 113.70 108.21 2cpt s SER 6 Ca 0.23 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2cpt s SER 6 Cb -0.10 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2cpt s SER 6 CO 0.35 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2cpt n GLY 7 N 4.80 -0.03 3.07 7.32 0.00 -1.26 -5.10 105.19 113.99 2cpt n GLY 7 Ca -0.14 0.24 -0.55 0.00 0.00 0.00 0.00 46.02 45.57 2cpt n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cpt n MET 8 N 0.00 0.00 -2.30 1.61 2.00 -1.26 -4.78 117.12 112.39 2cpt n MET 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 2cpt n MET 8 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 33.22 31.78 2cpt n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2cpt s SER 9 N 5.83 6.03 0.33 7.83 0.15 -1.26 -4.94 113.70 127.67 2cpt s SER 9 Ca 1.14 0.51 -0.03 0.00 0.70 0.00 0.00 55.95 58.27 2cpt s SER 9 Cb -1.40 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 60.37 2cpt s SER 9 CO 0.61 -1.74 0.45 -0.55 1.20 0.00 0.00 173.24 173.21 2cpt s SER 10 N 4.98 0.82 0.92 5.45 0.15 -1.26 -5.17 113.70 119.58 2cpt s SER 10 Ca 0.59 -1.44 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 2cpt s SER 10 Cb -0.13 0.64 0.14 0.00 -1.71 0.00 0.00 66.02 64.96 2cpt s SER 10 CO 0.27 -1.25 1.10 0.28 1.20 0.00 0.00 173.24 174.84 2cpt s THR 11 N -3.22 2.49 0.59 6.45 -1.32 -1.26 -5.03 115.64 114.34 2cpt s THR 11 Ca 0.31 0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.84 2cpt s THR 11 Cb 0.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2cpt s THR 11 CO 0.19 -0.21 0.98 -0.44 -2.21 0.00 0.00 174.62 172.94 2cpt s SER 12 N -3.51 6.26 0.14 8.08 0.01 -1.26 -4.96 113.70 118.45 2cpt s SER 12 Ca 0.64 1.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.13 2cpt s SER 12 Cb -0.18 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2cpt s SER 12 CO 0.57 -0.80 1.47 1.55 0.41 0.00 0.00 173.24 176.44 2cpt h PRO 13 N -0.15 0.94 -0.21 12.44 0.13 -1.99 -2.18 132.00 140.98 2cpt h PRO 13 Ca -0.45 -0.50 -0.03 0.00 -0.87 0.00 0.00 66.00 64.16 2cpt h PRO 13 Cb 1.19 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2cpt h PRO 13 CO 0.62 1.16 0.03 -0.91 -0.23 0.00 0.00 178.00 178.67 2cpt h ASN 14 N 0.77 0.34 0.34 1.44 4.21 -1.95 -2.68 115.58 118.05 2cpt h ASN 14 Ca 0.06 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 2cpt h ASN 14 Cb 0.99 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 2cpt h ASN 14 CO 0.10 0.52 -0.16 0.25 -1.29 0.00 0.00 177.43 176.84 2cpt h LEU 15 N 0.15 -0.38 -0.79 1.61 5.85 -1.84 -2.53 115.31 117.38 2cpt h LEU 15 Ca 0.06 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.93 2cpt h LEU 15 Cb 0.33 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.33 2cpt h LEU 15 CO 0.00 -0.21 0.11 -0.61 -0.34 0.00 0.00 178.44 177.39 2cpt h GLN 16 N -0.53 0.16 -0.44 1.25 5.75 -1.41 0.12 115.11 120.01 2cpt h GLN 16 Ca -0.05 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2cpt h GLN 16 Cb 0.40 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2cpt h GLN 16 CO 0.08 0.11 0.25 -0.22 -2.65 0.00 0.00 178.83 176.40 2cpt h LYS 17 N 0.17 0.50 -0.65 1.69 3.64 -1.29 -2.44 116.57 118.20 2cpt h LYS 17 Ca 0.45 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.90 2cpt h LYS 17 Cb 0.83 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 2cpt h LYS 17 CO -0.63 0.33 0.27 0.00 -2.27 0.00 0.00 179.45 177.15 2cpt h ALA 18 N 1.20 0.86 0.68 5.00 0.00 -0.35 -0.21 119.26 126.44 2cpt h ALA 18 Ca 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2cpt h ALA 18 Cb 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cpt h ALA 18 CO -0.09 -0.15 -0.42 0.82 0.00 0.00 0.00 179.25 179.41 2cpt h ILE 19 N 0.47 0.00 -0.71 0.00 2.04 -0.92 -0.40 117.51 118.00 2cpt h ILE 19 Ca 0.32 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.33 2cpt h ILE 19 Cb 0.38 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.37 2cpt h ILE 19 CO -0.30 0.00 0.21 -0.78 0.00 0.00 0.00 178.15 177.28 2cpt h ASP 20 N -1.04 0.10 0.66 1.72 1.82 -1.24 0.83 116.42 119.28 2cpt h ASP 20 Ca -0.09 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 2cpt h ASP 20 Cb 0.83 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 2cpt h ASP 20 CO 0.09 0.02 -0.50 -0.07 -1.61 0.00 0.00 179.24 177.18 2cpt h LEU 21 N 0.33 -1.30 -0.71 2.28 3.38 -0.84 0.17 115.31 118.61 2cpt h LEU 21 Ca 0.39 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.55 2cpt h LEU 21 Cb 0.62 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2cpt h LEU 21 CO -0.44 -0.71 0.32 0.00 0.09 0.00 0.00 178.44 177.70 2cpt h ALA 22 N -1.00 0.98 -0.38 1.53 0.00 -0.54 -1.27 119.26 118.57 2cpt h ALA 22 Ca -0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2cpt h ALA 22 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2cpt h ALA 22 CO 0.03 -0.11 0.23 1.03 0.00 0.00 0.00 179.25 180.43 2cpt h SER 23 N 0.53 0.46 -0.87 0.00 0.87 -0.57 -2.64 113.55 111.33 2cpt h SER 23 Ca 0.36 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 2cpt h SER 23 Cb 0.45 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 2cpt h SER 23 CO -0.31 0.37 0.55 0.50 -0.53 0.00 0.00 176.83 177.42 2cpt h LYS 24 N 0.50 1.04 -0.45 2.24 3.64 0.22 -2.92 116.57 120.84 2cpt h LYS 24 Ca 0.14 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2cpt h LYS 24 Cb -0.00 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.50 2cpt h LYS 24 CO -0.03 0.69 -0.56 0.00 -2.27 0.00 0.00 179.45 177.28 2cpt h ALA 25 N 1.37 -0.77 0.20 5.00 0.00 -0.88 -1.32 119.26 122.86 2cpt h ALA 25 Ca 0.35 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2cpt h ALA 25 Cb 0.04 1.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2cpt h ALA 25 CO -0.13 -1.04 -0.45 0.00 0.00 0.00 0.00 179.25 177.63 2cpt h ALA 26 N -0.02 -0.86 -1.00 0.00 0.00 -1.52 -2.09 119.26 113.77 2cpt h ALA 26 Ca 0.08 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.13 2cpt h ALA 26 Cb 0.58 0.73 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 2cpt h ALA 26 CO -0.62 -1.05 -0.08 1.96 0.00 0.00 0.00 179.25 179.47 2cpt h GLN 27 N -0.74 0.00 0.27 0.00 4.20 -1.24 0.29 115.11 117.89 2cpt h GLN 27 Ca -0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2cpt h GLN 27 Cb 0.73 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2cpt h GLN 27 CO -0.21 0.00 -0.16 0.93 -0.67 0.00 0.00 178.83 178.73 2cpt h GLU 28 N 0.00 -0.39 -0.25 1.46 4.39 -0.61 -2.65 114.58 116.52 2cpt h GLU 28 Ca 0.56 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.34 2cpt h GLU 28 Cb 1.05 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 2cpt h GLU 28 CO -0.97 -0.26 -0.44 0.22 -1.16 0.00 0.00 179.01 176.40 2cpt h ASP 29 N -0.40 -1.43 -0.63 1.42 1.82 0.09 0.25 116.42 117.53 2cpt h ASP 29 Ca -0.03 0.20 0.12 0.00 -0.39 0.00 0.00 57.03 56.92 2cpt h ASP 29 Cb 0.33 0.60 -0.12 0.00 0.68 0.00 0.00 39.33 40.81 2cpt h ASP 29 CO 0.04 -0.41 -0.29 0.50 -1.61 0.00 0.00 179.24 177.47 2cpt h LYS 30 N -0.43 -0.11 -0.58 0.28 1.63 -1.19 0.33 116.57 116.51 2cpt h LYS 30 Ca 0.10 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2cpt h LYS 30 Cb 0.61 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.24 2cpt h LYS 30 CO -0.48 -0.07 0.39 0.00 -3.45 0.00 0.00 179.45 175.83 2cpt h ALA 31 N 1.22 1.62 0.00 5.00 0.00 -0.95 -3.45 119.26 122.68 2cpt h ALA 31 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cpt h ALA 31 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cpt h ALA 31 CO -0.70 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2cpt n GLY 32 N -1.45 1.11 3.34 0.00 0.00 0.12 -5.11 105.19 103.19 2cpt n GLY 32 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2cpt n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 33 N -1.28 5.85 -0.24 1.61 0.01 0.65 -4.92 114.94 116.63 2cpt s ASN 33 Ca 0.00 -1.34 -0.18 0.00 -0.71 0.00 0.00 52.86 50.63 2cpt s ASN 33 Cb 0.00 -2.07 -0.16 0.00 0.41 0.00 0.00 41.25 39.42 2cpt s ASN 33 CO 0.00 -0.55 -0.02 -1.22 -1.51 0.00 0.00 177.10 173.80 2cpt n TYR 34 N 5.04 0.61 -0.27 2.20 4.02 -1.26 -2.56 117.16 124.94 2cpt n TYR 34 Ca -0.11 0.25 0.06 0.00 -0.01 0.00 0.00 57.90 58.09 2cpt n TYR 34 Cb 0.44 -1.06 0.20 0.00 -0.02 0.00 0.00 39.34 38.90 2cpt n TYR 34 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2cpt h GLU 35 N -0.95 0.45 -0.09 -0.72 4.57 -1.92 0.26 114.58 116.18 2cpt h GLU 35 Ca -0.50 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.50 2cpt h GLU 35 Cb 1.46 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.96 2cpt h GLU 35 CO -0.29 0.30 -0.56 1.49 -1.18 0.00 0.00 179.01 178.78 2cpt h GLU 36 N 0.47 0.54 -0.36 1.92 4.57 -1.99 -3.15 114.58 116.58 2cpt h GLU 36 Ca 0.43 -0.46 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2cpt h GLU 36 Cb 0.67 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2cpt h GLU 36 CO -0.41 1.09 0.24 0.00 -1.18 0.00 0.00 179.01 178.74 2cpt h ALA 37 N 0.46 1.81 0.49 2.92 0.00 -1.26 -2.32 119.26 121.36 2cpt h ALA 37 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2cpt h ALA 37 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2cpt h ALA 37 CO 0.11 0.16 -0.23 1.25 0.00 0.00 0.00 179.25 180.54 2cpt h LEU 38 N 0.43 -0.55 -0.73 0.00 5.85 -0.52 -0.76 115.31 119.02 2cpt h LEU 38 Ca 0.14 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.04 2cpt h LEU 38 Cb 0.03 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.08 2cpt h LEU 38 CO -0.03 -0.34 0.04 1.56 -0.34 0.00 0.00 178.44 179.33 2cpt h GLN 39 N -0.77 0.13 -0.51 1.25 1.08 -1.49 0.82 115.11 115.61 2cpt h GLN 39 Ca -0.07 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2cpt h GLN 39 Cb 0.50 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2cpt h GLN 39 CO 0.11 0.09 0.32 -0.07 -0.95 0.00 0.00 178.83 178.33 2cpt h LEU 40 N 0.14 0.54 -0.86 1.46 3.38 -1.42 -1.23 115.31 117.32 2cpt h LEU 40 Ca 0.40 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.44 2cpt h LEU 40 Cb 0.70 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2cpt h LEU 40 CO -0.62 0.38 0.52 1.88 0.09 0.00 0.00 178.44 180.70 2cpt h TYR 41 N 0.65 0.96 0.26 1.13 0.05 0.68 -0.78 116.97 119.92 2cpt h TYR 41 Ca 0.20 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 2cpt h TYR 41 Cb -0.02 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.42 2cpt h TYR 41 CO -0.05 0.45 -0.13 1.96 -1.05 0.00 0.00 178.16 179.34 2cpt h GLN 42 N 0.92 -0.34 -0.14 4.88 4.20 -0.76 -3.19 115.11 120.68 2cpt h GLN 42 Ca 0.39 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.17 2cpt h GLN 42 Cb 0.25 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2cpt h GLN 42 CO -0.20 -0.02 -0.34 0.45 -0.67 0.00 0.00 178.83 178.05 2cpt h HIS 43 N -0.67 -0.94 -0.94 2.96 3.86 -0.95 -1.59 115.15 116.88 2cpt h HIS 43 Ca -0.04 0.04 0.16 0.00 -1.16 0.00 0.00 60.37 59.38 2cpt h HIS 43 Cb 0.47 0.44 -0.16 0.00 1.06 0.00 0.00 27.41 29.21 2cpt h HIS 43 CO 0.02 -0.41 -0.31 0.00 0.86 0.00 0.00 177.93 178.09 2cpt n ALA 44 N -2.86 0.04 -0.05 2.45 0.00 -0.33 0.15 120.51 119.92 2cpt n ALA 44 Ca -0.03 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.28 2cpt n ALA 44 Cb 0.33 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 2cpt n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cpt h VAL 45 N 0.00 1.16 -0.60 0.00 2.07 -1.36 -1.31 116.25 116.20 2cpt h VAL 45 Ca 0.38 -0.47 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2cpt h VAL 45 Cb 0.62 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 31.41 2cpt h VAL 45 CO -0.95 0.15 -0.12 1.56 0.02 0.00 0.00 177.57 178.23 2cpt h GLN 46 N 0.14 0.02 -0.34 1.57 4.20 0.64 0.03 115.11 121.37 2cpt h GLN 46 Ca 0.06 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2cpt h GLN 46 Cb 0.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2cpt h GLN 46 CO -0.01 0.01 -0.05 1.88 -0.67 0.00 0.00 178.83 179.99 2cpt h TYR 47 N 0.02 0.71 -0.52 2.96 0.05 -1.03 -2.61 116.97 116.55 2cpt h TYR 47 Ca 0.29 -0.14 0.10 0.00 0.05 0.00 0.00 58.73 59.03 2cpt h TYR 47 Cb 0.46 -0.18 -0.08 0.00 1.01 0.00 0.00 36.73 37.94 2cpt h TYR 47 CO -0.47 0.78 0.05 0.74 -1.05 0.00 0.00 178.16 178.21 2cpt h PHE 48 N 0.43 0.07 0.74 4.88 0.04 0.02 -2.65 116.94 120.46 2cpt h PHE 48 Ca 0.09 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2cpt h PHE 48 Cb 0.54 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.75 2cpt h PHE 48 CO 0.05 -0.07 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.26 2cpt h LEU 49 N 0.17 -0.84 -1.52 1.54 3.38 -0.99 -2.55 115.31 114.49 2cpt h LEU 49 Ca 0.27 0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.71 2cpt h LEU 49 Cb 0.39 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2cpt h LEU 49 CO -0.40 -0.57 1.19 1.57 0.09 0.00 0.00 178.44 180.32 2cpt n HIS 50 N -4.86 0.00 -0.04 1.13 -0.00 -0.99 0.18 115.22 110.64 2cpt n HIS 50 Ca -0.12 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.91 2cpt n HIS 50 Cb 0.39 -0.38 -0.12 0.00 -0.12 0.00 0.00 29.99 29.76 2cpt n HIS 50 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cpt h VAL 51 N 0.00 1.62 0.00 3.57 2.07 -1.11 -3.24 116.25 119.16 2cpt h VAL 51 Ca 0.72 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2cpt h VAL 51 Cb 3.10 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 35.84 2cpt h VAL 51 CO -0.01 0.55 0.00 0.52 0.02 0.00 0.00 177.57 178.65 2cpt n VAL 52 N -4.56 0.26 0.00 2.57 0.31 0.46 -0.17 118.33 117.20 2cpt n VAL 52 Ca -0.10 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2cpt n VAL 52 Cb 0.49 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2cpt n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2cpt n LYS 53 N -1.34 0.00 0.00 5.55 4.81 0.86 -4.50 118.16 123.54 2cpt n LYS 53 Ca 0.10 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2cpt n LYS 53 Cb 0.22 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.04 2cpt n LYS 53 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2cpt n TYR 54 N -1.97 0.00 -0.51 5.64 4.11 -1.25 -4.68 117.16 118.50 2cpt n TYR 54 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 2cpt n TYR 54 Cb 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 39.34 39.66 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2cpt n GLU 55 N -0.79 4.09 -0.95 -3.48 -0.58 -0.46 -5.00 120.64 113.47 2cpt n GLU 55 Ca 0.00 -2.51 -0.33 0.00 -0.42 0.00 0.00 57.16 53.91 2cpt n GLU 55 Cb 0.00 -2.11 0.03 0.00 -0.57 0.00 0.00 31.44 28.78 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt n ALA 56 N 0.48 -4.50 0.00 0.62 0.00 0.76 -4.71 120.51 113.16 2cpt n ALA 56 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2cpt n ALA 56 Cb 1.01 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2cpt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpt n GLN 57 N 1.95 0.00 -3.59 0.00 10.64 -1.26 -5.02 117.38 120.10 2cpt n GLN 57 Ca 0.01 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.12 2cpt n GLN 57 Cb 0.47 -0.68 -0.03 0.00 -0.86 0.00 0.00 30.24 29.14 2cpt n GLN 57 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2cpt s GLY 58 N -3.71 -0.24 0.11 2.61 0.00 -1.26 -4.99 107.32 99.84 2cpt s GLY 58 Ca 0.00 1.84 -0.23 0.00 0.00 0.00 0.00 44.72 46.33 2cpt s GLY 58 CO 0.00 0.72 1.69 -1.80 0.00 0.00 0.00 173.10 173.71 2cpt h ASP 59 N 2.13 -0.30 -0.66 1.64 1.82 -2.00 -1.41 116.42 117.63 2cpt h ASP 59 Ca -0.12 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2cpt h ASP 59 Cb 1.18 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.29 2cpt h ASP 59 CO 0.25 -0.15 0.35 0.11 -1.61 0.00 0.00 179.24 178.19 2cpt h LYS 60 N -0.17 0.96 0.38 0.28 1.79 -2.01 -3.01 116.57 114.80 2cpt h LYS 60 Ca 0.04 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2cpt h LYS 60 Cb 0.23 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2cpt h LYS 60 CO -0.12 0.73 -0.19 0.00 -1.08 0.00 0.00 179.45 178.79 2cpt h ALA 61 N 1.42 -1.12 -0.48 3.86 0.00 -1.80 -2.96 119.26 118.18 2cpt h ALA 61 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2cpt h ALA 61 Cb 0.07 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2cpt h ALA 61 CO -0.03 -1.08 -0.28 1.63 0.00 0.00 0.00 179.25 179.48 2cpt n LYS 62 N -3.46 -0.21 -0.29 0.00 5.02 -0.58 -0.33 118.16 118.30 2cpt n LYS 62 Ca -0.06 1.21 0.02 0.00 -2.02 0.00 0.00 58.31 57.46 2cpt n LYS 62 Cb 0.21 -1.79 0.08 0.00 -0.02 0.00 0.00 35.03 33.50 2cpt n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2cpt n GLN 63 N -4.08 -0.12 -0.05 1.97 1.13 -1.14 0.10 117.38 115.20 2cpt n GLN 63 Ca 0.01 1.23 -0.08 0.00 -1.94 0.00 0.00 57.00 56.22 2cpt n GLN 63 Cb 0.12 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.62 2cpt n GLN 63 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cpt h SER 64 N 0.00 -0.19 0.35 1.08 0.87 -0.50 -1.18 113.55 113.98 2cpt h SER 64 Ca 0.33 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2cpt h SER 64 Cb 0.53 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2cpt h SER 64 CO -0.80 -0.07 -0.17 0.40 -0.53 0.00 0.00 176.83 175.67 2cpt h ILE 65 N 0.01 0.67 -0.41 2.23 2.04 0.14 -3.02 117.51 119.17 2cpt h ILE 65 Ca 0.10 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2cpt h ILE 65 Cb 0.16 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2cpt h ILE 65 CO -0.22 0.04 -0.41 0.03 0.00 0.00 0.00 178.15 177.59 2cpt h ARG 66 N -0.56 -0.30 -0.93 2.37 3.08 -0.30 0.85 114.38 118.59 2cpt h ARG 66 Ca -0.05 0.02 0.27 0.00 0.07 0.00 0.00 59.98 60.30 2cpt h ARG 66 Cb 0.42 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.39 2cpt h ARG 66 CO 0.08 -0.20 0.35 0.00 -1.07 0.00 0.00 179.97 179.13 2cpt h ALA 67 N 0.50 1.54 -0.20 0.04 0.00 -1.19 0.18 119.26 120.14 2cpt h ALA 67 Ca 0.15 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2cpt h ALA 67 Cb 0.58 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2cpt h ALA 67 CO -0.57 -0.52 -0.03 0.87 0.00 0.00 0.00 179.25 179.00 2cpt h LYS 68 N 0.24 0.37 -0.79 0.00 6.56 -0.76 -2.41 116.57 119.77 2cpt h LYS 68 Ca 0.63 -0.13 0.18 0.00 -1.06 0.00 0.00 60.65 60.27 2cpt h LYS 68 Cb 1.35 -0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.87 2cpt h LYS 68 CO -0.65 0.60 0.21 0.00 -2.06 0.00 0.00 179.45 177.55 2cpt h THR 70 N 0.27 1.29 0.81 0.00 2.02 -1.32 -0.72 112.91 115.26 2cpt h THR 70 Ca 0.46 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 2cpt h THR 70 Cb 0.83 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2cpt h THR 70 CO -0.55 0.40 -0.41 -0.08 0.37 0.00 0.00 175.52 175.25 2cpt h GLU 71 N 0.40 -1.07 -0.77 6.66 4.57 -0.53 -0.83 114.58 123.01 2cpt h GLU 71 Ca 0.07 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2cpt h GLU 71 Cb 0.67 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 2cpt h GLU 71 CO 0.04 -0.72 0.51 1.88 -1.18 0.00 0.00 179.01 179.55 2cpt h TYR 72 N -1.11 0.95 0.11 0.92 0.05 -0.77 -1.99 116.97 115.12 2cpt h TYR 72 Ca -0.11 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2cpt h TYR 72 Cb 0.86 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 2cpt h TYR 72 CO -0.04 0.58 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.51 2cpt h LEU 73 N 1.01 -0.18 -1.32 3.88 3.38 -0.90 -1.53 115.31 119.64 2cpt h LEU 73 Ca 0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2cpt h LEU 73 Cb -0.06 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2cpt h LEU 73 CO -0.07 -0.12 0.44 -0.78 0.09 0.00 0.00 178.44 178.00 2cpt h ASP 74 N -0.18 0.79 0.01 -0.43 1.82 -0.81 -2.30 116.42 115.31 2cpt h ASP 74 Ca -0.01 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2cpt h ASP 74 Cb 0.16 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2cpt h ASP 74 CO 0.00 0.58 -0.00 -0.09 -1.61 0.00 0.00 179.24 178.12 2cpt h ARG 75 N 0.93 -0.01 -0.46 0.28 9.65 -0.92 -3.00 114.38 120.85 2cpt h ARG 75 Ca 0.25 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.17 2cpt h ARG 75 Cb -0.10 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 2cpt h ARG 75 CO -0.05 0.08 0.21 0.00 2.80 0.00 0.00 179.97 183.01 2cpt h ALA 76 N 0.89 0.57 -1.00 2.80 0.00 -0.96 -2.05 119.26 119.52 2cpt h ALA 76 Ca -0.00 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.30 2cpt h ALA 76 Cb 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 2cpt h ALA 76 CO 0.00 -0.15 0.53 0.93 0.00 0.00 0.00 179.25 180.56 2cpt h GLU 77 N 0.42 0.16 0.36 0.00 5.08 -1.28 0.72 114.58 120.05 2cpt h GLU 77 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2cpt h GLU 77 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2cpt h GLU 77 CO -0.16 0.11 -0.17 0.87 -1.00 0.00 0.00 179.01 178.65 2cpt h LYS 78 N 0.17 -0.47 -1.30 2.33 1.79 -1.37 -3.07 116.57 114.64 2cpt h LYS 78 Ca 0.77 0.03 0.40 0.00 -2.18 0.00 0.00 60.65 59.67 2cpt h LYS 78 Cb 1.89 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 32.54 2cpt h LYS 78 CO -0.69 -0.15 0.86 -0.07 -1.08 0.00 0.00 179.45 178.32 2cpt h LEU 79 N -0.89 0.24 0.57 2.94 3.38 -0.77 -0.60 115.31 120.18 2cpt h LEU 79 Ca -0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2cpt h LEU 79 Cb 0.54 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2cpt h LEU 79 CO 0.08 -0.08 -0.28 0.11 0.09 0.00 0.00 178.44 178.37 2cpt h LYS 80 N 0.14 -0.74 -1.02 1.13 1.57 -1.26 0.12 116.57 116.52 2cpt h LYS 80 Ca 0.75 0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.83 2cpt h LYS 80 Cb 2.40 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 34.77 2cpt h LYS 80 CO -0.30 -0.50 0.63 0.93 -0.57 0.00 0.00 179.45 179.64 2cpt h GLU 81 N -0.86 0.51 -0.39 3.15 4.39 -1.10 0.17 114.58 120.46 2cpt h GLU 81 Ca -0.08 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2cpt h GLU 81 Cb 0.59 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2cpt h GLU 81 CO 0.13 0.34 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.30 2cpt h TYR 82 N 0.53 0.85 0.03 4.33 5.03 -1.20 0.12 116.97 126.65 2cpt h TYR 82 Ca 0.62 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.75 2cpt h TYR 82 Cb 1.30 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2cpt h TYR 82 CO -0.00 0.89 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.64 2cpt h LEU 83 N 0.56 -0.03 -0.30 2.82 3.38 0.13 0.73 115.31 122.60 2cpt h LEU 83 Ca 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2cpt h LEU 83 Cb 0.62 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2cpt h LEU 83 CO 0.04 0.12 0.05 0.07 0.09 0.00 0.00 178.44 178.81 2cpt h LYS 84 N -0.18 0.50 -0.11 1.13 2.10 -1.06 0.40 116.57 119.34 2cpt h LYS 84 Ca -0.00 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 2cpt h LYS 84 Cb 0.17 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2cpt h LYS 84 CO 0.01 0.60 -0.04 -0.97 -2.00 0.00 0.00 179.45 177.04 2cpt h ASN 85 N 0.32 0.15 0.00 7.07 -0.73 -0.71 -3.31 115.58 118.37 2cpt h ASN 85 Ca 0.09 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2cpt h ASN 85 Cb 0.35 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2cpt h ASN 85 CO 0.01 0.22 0.00 1.17 -0.37 0.00 0.00 177.43 178.46 2cpt n LYS 86 N -4.39 0.00 -1.20 6.67 4.81 0.24 -4.83 118.16 119.46 2cpt n LYS 86 Ca -0.01 0.37 -0.48 0.00 -0.87 0.00 0.00 58.31 57.32 2cpt n LYS 86 Cb 0.18 -0.87 -0.12 0.00 0.02 0.00 0.00 35.03 34.25 2cpt n LYS 86 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2cpt n GLU 87 N -2.11 0.00 -3.14 1.64 0.00 0.14 -4.81 120.64 112.36 2cpt n GLU 87 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.71 2cpt n GLU 87 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 31.44 30.08 2cpt n GLU 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2cpt s LYS 88 N 6.36 3.90 -0.20 5.31 2.20 -1.26 -4.85 119.74 131.19 2cpt s LYS 88 Ca 1.13 -2.55 -0.33 0.00 -0.36 0.00 0.00 55.97 53.86 2cpt s LYS 88 Cb -1.27 -4.74 0.15 0.00 -1.51 0.00 0.00 37.83 30.45 2cpt s LYS 88 CO 0.54 -1.51 1.20 0.21 -0.36 0.00 0.00 175.35 175.42 2cpt s LYS 89 N 0.71 0.32 -1.46 4.03 2.20 -1.26 -5.00 119.74 119.28 2cpt s LYS 89 Ca 0.31 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2cpt s LYS 89 Cb -0.07 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 2cpt s LYS 89 CO -0.06 -0.13 0.49 0.00 -0.36 0.00 0.00 175.35 175.29 2cpt n ALA 90 N 0.13 -1.86 -3.27 3.13 0.00 -1.26 -4.88 120.51 112.50 2cpt n ALA 90 Ca -0.01 -0.21 -0.45 0.00 0.00 0.00 0.00 53.44 52.77 2cpt n ALA 90 Cb 0.58 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2cpt n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpt n GLN 91 N -4.41 3.53 -3.54 0.00 10.64 -1.26 -5.02 117.38 117.31 2cpt n GLN 91 Ca -0.23 -4.36 -0.38 0.00 -1.83 0.00 0.00 57.00 50.19 2cpt n GLN 91 Cb 0.65 -2.63 -0.06 0.00 -0.86 0.00 0.00 30.24 27.34 2cpt n GLN 91 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2cpt s LYS 92 N -0.87 3.88 0.86 2.61 2.20 -1.26 -5.08 119.74 122.07 2cpt s LYS 92 Ca 0.33 0.34 -0.11 0.00 -0.36 0.00 0.00 55.97 56.17 2cpt s LYS 92 Cb -0.09 -3.23 0.10 0.00 -1.51 0.00 0.00 37.83 33.11 2cpt s LYS 92 CO -0.06 0.68 1.09 -1.25 -0.36 0.00 0.00 175.35 175.45 2cpt s PRO 93 N -1.00 1.59 -0.35 4.03 0.04 -1.26 -4.86 135.00 133.18 2cpt s PRO 93 Ca 0.23 0.94 -0.43 0.00 0.04 0.00 0.00 61.00 61.77 2cpt s PRO 93 Cb -0.16 -1.84 -0.19 0.00 0.04 0.00 0.00 34.50 32.35 2cpt s PRO 93 CO 0.12 -2.04 1.39 1.55 0.04 0.00 0.00 177.00 178.06 2cpt n VAL 94 N -3.76 0.00 -1.80 -0.36 3.14 -1.26 -4.92 118.33 109.37 2cpt n VAL 94 Ca 0.08 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.16 2cpt n VAL 94 Cb 0.54 -0.35 0.20 0.00 -1.06 0.00 0.00 33.84 33.17 2cpt n VAL 94 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2cpt s LYS 95 N 2.12 0.34 1.04 1.45 -2.85 -1.26 -5.03 119.74 115.55 2cpt s LYS 95 Ca 0.97 -0.37 -0.14 0.00 -1.00 0.00 0.00 55.97 55.42 2cpt s LYS 95 Cb -1.37 -1.81 0.18 0.00 -2.06 0.00 0.00 37.83 32.77 2cpt s LYS 95 CO 0.72 -2.63 0.34 0.39 0.10 0.00 0.00 175.35 174.28 2cpt n GLU 96 N -3.93 -2.41 -1.92 1.78 1.02 -1.26 -4.77 120.64 109.15 2cpt n GLU 96 Ca 0.15 -0.71 -0.43 0.00 -0.02 0.00 0.00 57.16 56.15 2cpt n GLU 96 Cb 0.59 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2cpt n GLU 96 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2cpt s GLY 97 N -2.04 1.22 0.44 0.62 0.00 -1.26 -4.96 107.32 101.33 2cpt s GLY 97 Ca 0.39 0.78 -0.25 0.00 0.00 0.00 0.00 44.72 45.65 2cpt s GLY 97 CO 0.37 3.23 1.27 -0.86 0.00 0.00 0.00 173.10 177.11 2cpt s GLN 98 N 4.77 3.82 1.23 2.90 0.00 -1.26 -5.02 119.66 126.09 2cpt s GLN 98 Ca 0.80 2.06 -0.20 0.00 -0.00 0.00 0.00 55.36 58.02 2cpt s GLN 98 Cb -0.31 -2.61 0.30 0.00 0.00 0.00 0.00 33.01 30.39 2cpt s GLN 98 CO 0.33 -0.59 1.11 -1.25 0.00 0.00 0.00 175.29 174.89 2cpt s PRO 99 N -2.43 -1.44 -0.01 9.60 0.04 -1.26 -5.10 135.00 134.40 2cpt s PRO 99 Ca 0.60 -0.15 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 2cpt s PRO 99 Cb -0.36 -1.58 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2cpt s PRO 99 CO 0.45 -3.84 0.33 -1.12 0.04 0.00 0.00 177.00 172.86 2cpt s SER 100 N -3.96 -0.22 1.12 6.66 0.01 -1.26 -5.17 113.70 110.88 2cpt s SER 100 Ca 0.72 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.97 2cpt s SER 100 Cb -0.08 0.33 0.15 0.00 0.21 0.00 0.00 66.02 66.63 2cpt s SER 100 CO 0.56 -0.48 0.54 -0.81 0.41 0.00 0.00 173.24 173.46 2cpt n PRO 101 N 1.17 -2.08 -4.47 12.44 -0.04 -1.26 -5.08 135.00 135.68 2cpt n PRO 101 Ca -0.21 -0.87 -0.24 0.00 -0.04 0.00 0.00 63.50 62.14 2cpt n PRO 101 Cb 0.56 -0.81 -0.10 0.00 -0.04 0.00 0.00 33.50 33.11 2cpt n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cpt s ALA 102 N -3.00 2.79 0.88 0.55 0.00 -1.26 -5.13 121.76 116.60 2cpt s ALA 102 Ca 0.35 -1.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 2cpt s ALA 102 Cb -0.03 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.94 2cpt s ALA 102 CO 0.27 0.26 1.12 -0.51 0.00 0.00 0.00 175.76 176.91 2cpt s ASP 103 N -3.53 3.33 -0.25 0.00 1.01 -1.26 -5.02 116.67 110.95 2cpt s ASP 103 Ca 0.30 2.04 0.03 0.00 0.71 0.00 0.00 52.55 55.63 2cpt s ASP 103 Cb -0.04 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.41 2cpt s ASP 103 CO 0.15 -2.82 -0.11 -1.61 0.21 0.00 0.00 175.17 170.99 2cpt s GLU 104 N -4.73 2.23 -0.07 8.23 2.02 -1.26 -5.11 118.70 120.01 2cpt s GLU 104 Ca 0.65 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 54.20 2cpt s GLU 104 Cb -0.21 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 2cpt s GLU 104 CO 0.58 -0.55 0.38 0.21 0.02 0.00 0.00 175.26 175.90 2cpt s LYS 105 N 1.14 4.06 -0.25 1.61 2.47 -1.26 -5.07 119.74 122.44 2cpt s LYS 105 Ca -0.08 0.32 -0.03 0.00 -1.56 0.00 0.00 55.97 54.63 2cpt s LYS 105 Cb -0.20 -3.31 0.14 0.00 -1.46 0.00 0.00 37.83 33.00 2cpt s LYS 105 CO -0.06 0.48 0.42 0.20 0.16 0.00 0.00 175.35 176.56 2cpt s GLY 106 N -0.37 -0.50 -0.16 5.54 0.00 -1.26 -5.14 107.32 105.43 2cpt s GLY 106 Ca 0.22 1.13 -0.20 0.00 0.00 0.00 0.00 44.72 45.87 2cpt s GLY 106 CO 0.10 2.75 0.59 0.21 0.00 0.00 0.00 173.10 176.75 2cpt s ASN 107 N 2.61 6.70 0.18 1.64 3.84 -1.26 -4.98 114.94 123.67 2cpt s ASN 107 Ca 0.12 0.85 -0.24 0.00 0.21 0.00 0.00 52.86 53.80 2cpt s ASN 107 Cb -0.15 -2.33 0.07 0.00 -0.55 0.00 0.00 41.25 38.29 2cpt s ASN 107 CO -0.16 -0.18 1.57 0.44 -2.79 0.00 0.00 177.10 175.99 2cpt h ASP 108 N 7.22 -1.37 -7.05 -4.21 5.19 -2.06 -3.44 116.42 110.69 2cpt h ASP 108 Ca -0.35 0.24 -0.60 0.00 -0.62 0.00 0.00 57.03 55.69 2cpt h ASP 108 Cb 1.16 0.64 -0.29 0.00 0.18 0.00 0.00 39.33 41.02 2cpt h ASP 108 CO 0.76 -0.32 -0.91 -1.54 -3.12 0.00 0.00 179.24 174.11 2cpt n SER 109 N -5.42 -1.41 -3.90 6.45 3.41 -1.26 -4.92 113.62 106.58 2cpt n SER 109 Ca 0.03 -1.20 -0.14 0.00 -0.26 0.00 0.00 58.87 57.31 2cpt n SER 109 Cb 0.35 -1.91 -0.14 0.00 -0.26 0.00 0.00 64.21 62.25 2cpt n SER 109 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cpt s ASP 110 N -3.58 0.23 0.39 4.04 2.15 -1.26 -5.16 116.67 113.49 2cpt s ASP 110 Ca 0.58 -0.03 -0.15 0.00 0.43 0.00 0.00 52.55 53.38 2cpt s ASP 110 Cb -0.33 -0.03 0.06 0.00 -0.30 0.00 0.00 42.92 42.31 2cpt s ASP 110 CO 0.99 0.02 0.78 -0.83 -0.17 0.00 0.00 175.17 175.97 2cpt s GLY 111 N -0.02 0.47 0.29 2.66 0.00 -1.26 -5.19 107.32 104.27 2cpt s GLY 111 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2cpt s GLY 111 CO -0.00 -0.37 0.21 -0.56 0.00 0.00 0.00 173.10 172.38 2cpt s SER 112 N -3.09 1.23 -0.47 1.64 0.01 -1.26 -5.13 113.70 106.63 2cpt s SER 112 Ca 0.17 -1.61 0.06 0.00 1.31 0.00 0.00 55.95 55.87 2cpt s SER 112 Cb -0.05 0.47 0.18 0.00 0.21 0.00 0.00 66.02 66.83 2cpt s SER 112 CO 0.12 -0.96 0.56 0.61 0.41 0.00 0.00 173.24 173.98 2cpt n GLY 113 N -0.52 0.68 3.77 3.44 0.00 -1.26 -5.14 105.19 106.16 2cpt n GLY 113 Ca 0.04 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2cpt n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpt s PRO 114 N 0.48 4.39 0.34 1.61 0.04 -1.26 -5.05 135.00 135.56 2cpt s PRO 114 Ca 0.31 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.43 2cpt s PRO 114 Cb 0.02 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2cpt s PRO 114 CO -0.12 -0.09 0.20 -1.12 0.04 0.00 0.00 177.00 175.91 2cpt s SER 115 N -0.72 1.90 0.19 6.66 0.01 -1.26 -5.17 113.70 115.31 2cpt s SER 115 Ca 0.49 -1.68 0.10 0.00 1.31 0.00 0.00 55.95 56.17 2cpt s SER 115 Cb -0.36 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2cpt s SER 115 CO 0.47 -0.98 -0.15 -0.44 0.41 0.00 0.00 173.24 172.55 2cpt s SER 116 N -3.43 3.94 0.00 2.44 0.01 -1.26 -5.37 113.70 110.04 2cpt s SER 116 Ca 0.35 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.91 2cpt s SER 116 Cb 0.03 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.73 2cpt s SER 116 CO 0.21 0.10 0.52 0.61 0.41 0.00 0.00 173.24 175.10